In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 13 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -0.35 | 1.54 | -111.16 | 6 | 3 | 2 | 59 | 181.283 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.35 | 1.15 | -47.67 | 5 | 3 | 1 | 57 | 180.275 | 5 | ↓ |